3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide

C19H22ClNO3 — CID 127121205

IUPAC3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2ccccc2Cl)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-13(15-8-10-17(23-2)18(12-15)24-3)21-19(22)11-9-14-6-4-5-7-16(14)20/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,22)
InChIKeySJFDRKQYVUSMOX-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.17
Rot. Bonds7

About 3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide

3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 127121205) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID127121205
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2ccccc2Cl)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-13(15-8-10-17(23-2)18(12-15)24-3)21-19(22)11-9-14-6-4-5-7-16(14)20/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,22)
InChIKeySJFDRKQYVUSMOX-UHFFFAOYSA-N
XLogP4.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 46674104
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094
3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 108789414
3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127122091
3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 98697568
3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide
CID 55797839
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide
CID 133189162
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329640
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 127121205) is 3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide is COc1ccc(C(C)NC(=O)CCc2ccccc2Cl)cc1OC.
What is the InChIKey of 3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is SJFDRKQYVUSMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13(15-8-10-17(23-2)18(12-15)24-3)21-19(22)11-9-14-6-4-5-7-16(14)20/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,22).
What are the key properties of 3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 347.84 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 127121205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).